4-(2-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine

C14H10ClN3S — CID 2740204

IUPAC4-(2-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine
SMILESClc1ccccc1-c1csc(Nc2cccnc2)n1
InChIInChI=1S/C14H10ClN3S/c15-12-6-2-1-5-11(12)13-9-19-14(18-13)17-10-4-3-7-16-8-10/h1-9H,(H,17,18)
InChIKeyHBAUPUFCJUROTK-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.60
Rot. Bonds3

About 4-(2-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine

4-(2-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 2740204) has the molecular formula C14H10ClN3S and a molecular weight of 287.78 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID2740204
Molecular FormulaC14H10ClN3S
Molecular Weight287.78 g/mol
Exact Mass287.03
IUPAC Name4-(2-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine
SMILESClc1ccccc1-c1csc(Nc2cccnc2)n1
InChIInChI=1S/C14H10ClN3S/c15-12-6-2-1-5-11(12)13-9-19-14(18-13)17-10-4-3-7-16-8-10/h1-9H,(H,17,18)
InChIKeyHBAUPUFCJUROTK-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine (CID 2740204) is 4-(2-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine is Clc1ccccc1-c1csc(Nc2cccnc2)n1.
What is the InChIKey of 4-(2-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is HBAUPUFCJUROTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3S/c15-12-6-2-1-5-11(12)13-9-19-14(18-13)17-10-4-3-7-16-8-10/h1-9H,(H,17,18).
What are the key properties of 4-(2-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine?
4-(2-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 287.78 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 2740204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).